AU6
Summary
| Name: | 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid |
| Formula: | C15 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 270.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid |
| OpenEye OEToolkits | 2.0.4 | 3-[(4-methylphenyl)carbamoylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(c1cc(ccc1)NC(Nc2ccc(C)cc2)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O3/c1-10-5-7-12(8-6-10)16-15(20)17-13-4-2-3-11(9-13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20) |
| InChIKey | InChI | 1.03 | TYCRWVKJQQIRNE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O |
